Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | GRN | P28799 | 1/20 | 0.32 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.31 |
| ▸ | MGLL | Q99685 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | ARG1 | P05089 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6545646 | 0.82 | CCR2 (0.41) | ALDH1A1KDM4ECYP2D6CYP1A2CYP2C9 | |
| SCHEMBL19068796 | 0.82 | ALDH1A1 (0.46) | ALDH1A1KDM4ETDP1PIK3CDCYP2D6 | |
| SCHEMBL23329222 | 0.80 | PDK1 (0.45) | ALDH1A1KDM4ETDP1PIK3CDDRD4 | |
| SCHEMBL3418323 | 0.78 | PIK3CD (0.44) | ALDH1A1KDM4ETDP1PIK3CDDRD4 | |
| SCHEMBL9921758 | 0.78 | PIK3CD (0.44) | ALDH1A1KDM4ETDP1PIK3CDDRD4 | |
| SCHEMBL4546587 | 0.78 | HRH3 (0.50) | ALDH1A1KDM4ETDP1CYP2D6CYP1A2 | |
| SCHEMBL12269229 | 0.78 | PDK1 (0.47) | ALDH1A1KDM4ETDP1PIK3CDCYP2D6 | |
| SCHEMBL4192102 | 0.78 | ALDH1A1 (0.39) | ALDH1A1KDM4ECYP2D6CYP1A2CYP2C9 | |
| SCHEMBL3719537 | 0.77 | PIK3CD (0.43) | ALDH1A1KDM4ETDP1PIK3CDCYP2D6 | |
| SCHEMBL23518626 | 0.77 | PIK3CD (0.43) | ALDH1A1KDM4ETDP1PIK3CDCYP2D6 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8293729-B2 | Compounds, pharmaceutical composition and methods relating thereto | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-10-23 | — | — | US | disclosed |
| US-20110166116-A1 | NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-07-07 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110166116-A1 | NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO | MC2R, REN, CYP11B2 | ALDH1A1 831/4885KDM4E 3718/4885TDP1 2755/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.